Benchmarking docking and ML re-scoring screening performance for KRAS G12D in pancreatic cancer.

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Title: Benchmarking docking and ML re-scoring screening performance for KRAS G12D in pancreatic cancer.
Authors: Elaraby AR; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Sinai University, Kantara Branch, Ismailia, Egypt., Shahin MI; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ain Shams University, P.O. Box 11566, Abbassia, Cairo, Egypt., Elaasser MM; The Regional Center for Mycology and Biotechnology, Al-Azhar University, Cairo, Egypt., Elsaady MT; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Sinai University, Kantara Branch, Ismailia, Egypt., Al-Ansary GH; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ain Shams University, P.O. Box 11566, Abbassia, Cairo, Egypt., Abou El Ella DA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ain Shams University, P.O. Box 11566, Abbassia, Cairo, Egypt., Ibrahim TM; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh, Egypt. tamer_mohamad@pharm.kfs.edu.eg.; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The British University in Egypt, Al-Sherouk City, Cairo-Suez Desert Road, Cairo, Egypt. tamer_mohamad@pharm.kfs.edu.eg.
Source: Molecular diversity [Mol Divers] 2026 Jun 28. Date of Electronic Publication: 2026 Jun 28.
Publication Type: Journal Article
Journal Info: Publisher: ESCOM Science Publishers Country of Publication: Netherlands NLM ID: 9516534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-501X (Electronic) Linking ISSN: 13811991 NLM ISO Abbreviation: Mol Divers Subsets: MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1573-501X
DOI:10.1007/s11030-026-11627-x